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1,4-Dithiepan-6-one 1-oxide(87060-79-5) 1H NMR
Product Name1,4-Dithiepan-6-one 1-oxide
CAS87060-79-5
Molecular Formula
Molecular Weight
InChIInChI=1S/C5H8O2S2/c6-5-3-8-1-2-9(7)4-5/h1-4H2
InChIKey XDPWKKRSHIZCGN-UHFFFAOYSA-N
SmilesS1(=O)CC(=O)CSCC1
-
Parameter ppm Hz
D(A) 3.66 D(B) 2.98 D(C) 3.50 D(D) 3.01 D(E) 3.65 D(F) 3.36 D(G) 4.14 D(J) 4.63 J(A,B) -14.5 J(A,C) 1.9 J(A,D) 5.5 J(A,E) 0.0 J(A,F) 0.5 J(A,G) -1.1 J(A,J) 0.0 J(B,C) 11.8 J(B,D) 2.6 J(B,E) 0.0 J(B,F) 0.0 J(B,G) 0.0 J(B,J) -0.3 J(C,D) -15.8 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0.0 J(C,J) 0.0 J(D,E) 0.0 J(D,F) -1.4 J(D,G) 0.0 J(D,J) 0.0 J(E,F) -16.9 J(E,G) 0.0 J(E,J) 0.0 J(F,G) -0.8 J(F,J) 0.0 J(G,J) -13.4 COOK,M.J. ET AL. ORG.MAGN.RESON. 21, 339 (1983)Spectral Code: 1H NMR : parameter in CDCl3